4-{[2-(2,4-difluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}-3,5-dimethyl-1,2-oxazole

• ChemBase ID: 733804
• Molecular Formular: C18H18F2N4O
• Molecular Mass: 344.3585264
• Monoisotopic Mass: 344.14486766
• SMILES: c1(nc2c([nH]1)CCN(Cc1c(onc1C)C)C2)c1c(cc(cc1)F)F
• Canonical SMILES: Fc1ccc(c(c1)F)c1[nH]c2c(n1)CN(CC2)Cc1c(C)noc1C
• InChI: InChI=1S/C18H18F2N4O/c1-10-14(11(2)25-23-10)8-24-6-5-16-17(9-24)22-18(21-16)13-4-3-12(19)7-15(13)20/h3-4,7H,5-6,8-9H2,1-2H3,(H,21,22)
• InChIKey: NVOGDUKANTUAHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[2-(2,4-difluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}-3,5-dimethyl-1,2-oxazole
• IUPAC Traditional name: 4-{[2-(2,4-difluorophenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}-3,5-dimethyl-1,2-oxazole
• Synonyms: 2-(2,4-difluorophenyl)-5-[(3,5-dimethylisoxazol-4-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.794275
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3091134
• LogD (pH = 7.4): 2.2877827
• Log P: 2.3389568
• Molar Refractivity: 101.661 cm^3
• Polarizability: 33.96294 Å^3
• Polar Surface Area: 57.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.83
• LOG S: -2.26
• Polar Surface Area: 57.95 Å^2
• Rotatable Bonds: 3